About 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea (PubChem CID 11758530) has the molecular formula C34H32ClN9O
and a molecular weight of 618.15 g/mol. Its IUPAC name is 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea.
Molecular Properties
| Compound Name | 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea |
|---|
| PubChem CID | 11758530 |
|---|
| Molecular Formula | C34H32ClN9O |
|---|
| Molecular Weight | 618.15 g/mol |
|---|
| Exact Mass | 617.24 |
|---|
| IUPAC Name | 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea |
|---|
| SMILES | CN1CCN(Cc2ccc(NC(=O)Nc3cccc(-c4cn5ccnc5c(-n5ccnc5-c5ccc(Cl)cc5)n4)c3)cc2)CC1 |
|---|
| InChI | InChI=1S/C34H32ClN9O/c1-41-17-19-42(20-18-41)22-24-5-11-28(12-6-24)38-34(45)39-29-4-2-3-26(21-29)30-23-43-15-13-37-32(43)33(40-30)44-16-14-36-31(44)25-7-9-27(35)10-8-25/h2-16,21,23H,17-20,22H2,1H3,(H2,38,39,45) |
|---|
| InChIKey | SJMVKHJJUSWKIK-UHFFFAOYSA-N |
|---|
| XLogP | 6.29 |
|---|
| TPSA | 95.62 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 618.15 |
| LogP ≤ 5 | 6.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea (CID 11758530) is 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea is CN1CCN(Cc2ccc(NC(=O)Nc3cccc(-c4cn5ccnc5c(-n5ccnc5-c5ccc(Cl)cc5)n4)c3)cc2)CC1.
What is the InChIKey of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea?
The InChIKey is SJMVKHJJUSWKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN9O/c1-41-17-19-42(20-18-41)22-24-5-11-28(12-6-24)38-34(45)39-29-4-2-3-26(21-29)30-23-43-15-13-37-32(43)33(40-30)44-16-14-36-31(44)25-7-9-27(35)10-8-25/h2-16,21,23H,17-20,22H2,1H3,(H2,38,39,45).
What are the key properties of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea?
1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea has a molecular weight of 618.15 g/mol, XLogP of 6.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 11758530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).